massXpert mass spectrometry package 1.6.3 (Default branch) |
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The massXpert software package is a mass
spectrometry environment for linear
(bio-)polymers. It inherits all the innovations of
GNU polyxmass. It allows the detailed definition
of new polymer chemistries in the XpertDef module.
These chemistry definitions are then used in the
desktop calculator-like mass calculator
(XpertCalc) and in the sophisticated polymer
sequence editor and (bio-)chemical/mass
spectrometric simulations module (XpertEdit).
Available simulations include polymer and monomer
chemical modifications, polymer sequence cleavage,
gas-phase fragmentation, m/z ratio calculations,
and more.
License: GNU General Public License (GPL)
Changes:
This release adds the ability to modify a polymer sequence using arbitrary formulas, not necessarily modifications from the polymer chemistry definition. It fixes many bugs with the modifications in the modification_dictionary file and related graphical vignettes. The code has been updated to comply with Qt 4.3.0 on GNU/Linux. Some glitches have been fixed in the sequence editor window. Recorder output in the calculator window has been improved. The documentation has been greatly improved by making it more concise and specific. The problematic MS Windows package creation procedure should hopefully be fixed.
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